3-(4-Hydroxy-4-Oxobutyl)-1H-Indole-2-Carboxylic Acid
[CAS# 31529-29-0]

Identification

• Name: 3-(4-Hydroxy-4-Oxobutyl)-1H-Indole-2-Carboxylic Acid
• Synonyms: 3-(4-Hydroxy-4-Oxo-Butyl)-1H-Indole-2-Carboxylic Acid; 3-(4-Hydroxy-4-Keto-Butyl)-1H-Indole-2-Carboxylic Acid
• Molecular Formula: C₁₃H₁₃NO₄
• Molecular Weight: 247.25
• CAS Registry Number: 31529-29-0
• EINECS: 250-682-0
• SMILES: C1=CC=CC2=C1C(=C(C(O)=O)[NH]2)CCCC(O)=O
• InChI: 1S/C13H13NO4/c15-11(16)7-3-5-9-8-4-1-2-6-10(8)14-12(9)13(17)18/h1-2,4,6,14H,3,5,7H2,(H,15,16)(H,17,18)
• InChIKey: IAFOXRHFSQERNU-UHFFFAOYSA-N

Properties

• Density: 1.414g/cm³ (Cal.)
• Boiling point: 535.978°C at 760 mmHg (Cal.)
• Flash point: 277.95°C (Cal.)